2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine

C17H13N3O — CID 118729923

IUPAC2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine
SMILESCc1nc2cccc(Nc3cccc4cccnc34)c2o1
InChIInChI=1S/C17H13N3O/c1-11-19-14-8-3-9-15(17(14)21-11)20-13-7-2-5-12-6-4-10-18-16(12)13/h2-10,20H,1H3
InChIKeyZGPISYNAPXKHNT-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.43
Rot. Bonds2

About 2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine

2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine (PubChem CID 118729923) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine
PubChem CID118729923
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine
SMILESCc1nc2cccc(Nc3cccc4cccnc34)c2o1
InChIInChI=1S/C17H13N3O/c1-11-19-14-8-3-9-15(17(14)21-11)20-13-7-2-5-12-6-4-10-18-16(12)13/h2-10,20H,1H3
InChIKeyZGPISYNAPXKHNT-UHFFFAOYSA-N
XLogP4.43
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine?
The IUPAC name of 2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine (CID 118729923) is 2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine.
What is the SMILES notation for 2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine?
The canonical SMILES for 2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine is Cc1nc2cccc(Nc3cccc4cccnc34)c2o1.
What is the InChIKey of 2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine?
The InChIKey is ZGPISYNAPXKHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-11-19-14-8-3-9-15(17(14)21-11)20-13-7-2-5-12-6-4-10-18-16(12)13/h2-10,20H,1H3.
What are the key properties of 2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine?
2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine has a molecular weight of 275.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-quinolin-8-yl-1,3-benzoxazol-7-amine is sourced from PubChem (CID 118729923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).